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Antoni Macià Escatllar
Antoni Macià Escatllar
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Understanding the interplay between size, morphology and energy gap in photoactive TiO 2 nanoparticles
Á Morales-García, AM Escatllar, F Illas, ST Bromley
Nanoscale 11 (18), 9032-9041, 2019
532019
Structure and Properties of Nanosilicates with Olivine (Mg2SiO4)N and Pyroxene (MgSiO3)N Compositions
AM Escatllar, T Lazaukas, SM Woodley, ST Bromley
ACS Earth and Space Chemistry 3 (11), 2390-2403, 2019
322019
What can infrared spectra tell us about the crystallinity of nanosized interstellar silicate dust grains?
L Zamirri, A Macia Escatllar, J Marinoso Guiu, P Ugliengo, ST Bromley
ACS Earth and Space Chemistry 3 (10), 2323-2338, 2019
202019
Modeling hydroxylated nanosilica: Testing the performance of ReaxFF and FFSiOH force fields
A Macià Escatllar, P Ugliengo, ST Bromley
The Journal of Chemical Physics 146 (22), 224704, 2017
182017
Global optimisation of hydroxylated silica clusters: A cascade Monte Carlo Basin Hopping approach
A Cuko, A Maciá, M Calatayud, ST Bromley
Computational and Theoretical Chemistry 1102, 38-43, 2017
172017
Properties of hydrated TiO 2 and SiO 2 nanoclusters: dependence on size, temperature and water vapour pressure
A Cuko, AM Escatllar, M Calatayud, ST Bromley
Nanoscale 10 (45), 21518-21532, 2018
162018
Assessing the viability of silicate nanoclusters as carriers of the anomalous microwave emission: a quantum mechanical study
AM Escatllar, ST Bromley
Astronomy & Astrophysics 634, A77, 2020
112020
How does temperature affect the infrared vibrational spectra of nanosized silicate dust?
JM Guiu, AM Escatllar, ST Bromley
ACS Earth and Space Chemistry 5 (4), 812-823, 2021
102021
Efficient preparation of TiO2 nanoparticle models using interatomic potentials
A Macià Escatllar, Á Morales-García, F Illas, ST Bromley
The Journal of Chemical Physics 150 (21), 2019
102019
Computing Free Energies of Hydroxylated Silica Nanoclusters: Forcefield versus Density Functional Calculations
A Macià Escatllar, P Ugliengo, ST Bromley
Inorganics 5 (3), 41, 2017
42017
Does processing or formation of water ice mantles affect the capacity of nanosilicates to be the source of anomalous microwave emission?
J Mariñoso Guiu, S Ferrero, A Macià Escatllar, A Rimola, ST Bromley
Frontiers in Astronomy and Space Sciences 8, 676548, 2021
32021
Computational Modelling of TiO2 and Mg-silicate nanoclusters and nanoparticles-Crystallinity and Astrophysical Implications
A Macià Escatllar
Universitat de Barcelona, 2020
2020
Structure and Properties of Nanosilicates with Olivine (Mg₂Si2O₄) N and Pyroxene (MgSiO₃) N Compositions
A Macià Escatlla, T Lazauskas, SM Woodley, ST Bromley
ACS Earth and Space Chemistry, 2019
2019
How to accurately model IR spectra of nanosized silicate grains
JM Guiu, A Macià, ST Bromley
Proceedings of the International Astronomical Union 15 (S350), 431-433, 2019
2019
Stability or photoactivity? Properties of realistic TiO2 nanoparticles
Á Morales-García, A Macià, ST Bromley, F Illasa
INTERNATIONAL WORKSHOP, 52, 0
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Artículos 1–15